BDBM50442148 CHEMBL2441268

SMILES: Cc1cc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2cc1C

InChI Key: InChIKey=ADLGFXXJNWPIRR-XUTJKUGGSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50442148   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50442148 (CHEMBL2441268) Show SMILES Cc1cc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2cc1C |r,wU:23.24,wD:20.20,(13.06,-1.23,;12.47,-2.65,;10.94,-2.85,;10.35,-4.27,;8.9,-4.77,;8.93,-6.32,;7.72,-7.25,;7.75,-8.8,;6.43,-9.59,;6.45,-11.13,;5.12,-11.92,;3.79,-11.15,;3.79,-9.61,;2.46,-8.83,;1.12,-9.6,;1.12,-11.14,;2.45,-11.91,;7.8,-11.87,;9.12,-11.08,;10.46,-11.83,;11.79,-11.04,;13.13,-11.79,;14.45,-11.01,;14.43,-9.46,;15.76,-8.67,;13.09,-8.71,;11.76,-9.5,;9.09,-9.55,;10.41,-6.76,;11.28,-5.49,;12.81,-5.29,;13.4,-3.88,;14.93,-3.68,)| Show InChI InChI=1S/C26H29N5OS/c1-16-12-22-23(13-17(16)2)33-26(29-22)31-24-15-20(14-18-6-4-3-5-7-18)28-25(30-24)27-19-8-10-21(32)11-9-19/h3-7,12-13,15,19,21,32H,8-11,14H2,1-2H3,(H2,27,28,29,30,31)/t19-,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human FLAG-tagged ITK using biotinylated GST-SAM68 as substrate after 30 mins				ACS Med Chem Lett 4: 948-52 (2013) Article DOI: 10.1021/ml400206q BindingDB Entry DOI: 10.7270/Q28P61Z7
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50442148 (CHEMBL2441268) Show SMILES Cc1cc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2cc1C |r,wU:23.24,wD:20.20,(13.06,-1.23,;12.47,-2.65,;10.94,-2.85,;10.35,-4.27,;8.9,-4.77,;8.93,-6.32,;7.72,-7.25,;7.75,-8.8,;6.43,-9.59,;6.45,-11.13,;5.12,-11.92,;3.79,-11.15,;3.79,-9.61,;2.46,-8.83,;1.12,-9.6,;1.12,-11.14,;2.45,-11.91,;7.8,-11.87,;9.12,-11.08,;10.46,-11.83,;11.79,-11.04,;13.13,-11.79,;14.45,-11.01,;14.43,-9.46,;15.76,-8.67,;13.09,-8.71,;11.76,-9.5,;9.09,-9.55,;10.41,-6.76,;11.28,-5.49,;12.81,-5.29,;13.4,-3.88,;14.93,-3.68,)| Show InChI InChI=1S/C26H29N5OS/c1-16-12-22-23(13-17(16)2)33-26(29-22)31-24-15-20(14-18-6-4-3-5-7-18)28-25(30-24)27-19-8-10-21(32)11-9-19/h3-7,12-13,15,19,21,32H,8-11,14H2,1-2H3,(H2,27,28,29,30,31)/t19-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Aurora-B (unknown origin) using 5FAM-PKAtide as substrate after 120 mins				ACS Med Chem Lett 4: 948-52 (2013) Article DOI: 10.1021/ml400206q BindingDB Entry DOI: 10.7270/Q28P61Z7
					More data for this Ligand-Target Pair